2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide

C24H26N2O6S — CID 17310896

IUPAC2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OCc3cccc(C)c3)c2)c(OC)c1
InChIInChI=1S/C24H26N2O6S/c1-17-6-5-7-19(12-17)16-32-22-13-18(8-10-21(22)30-3)15-25-26-33(27,28)24-11-9-20(29-2)14-23(24)31-4/h5-15,26H,16H2,1-4H3/b25-15+
InChIKeyCZLPORKGZCVZFX-MFKUBSTISA-N
MW470.55 g/mol
LogP3.91
Rot. Bonds10

About 2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide

2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide (PubChem CID 17310896) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
PubChem CID17310896
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OCc3cccc(C)c3)c2)c(OC)c1
InChIInChI=1S/C24H26N2O6S/c1-17-6-5-7-19(12-17)16-32-22-13-18(8-10-21(22)30-3)15-25-26-33(27,28)24-11-9-20(29-2)14-23(24)31-4/h5-15,26H,16H2,1-4H3/b25-15+
InChIKeyCZLPORKGZCVZFX-MFKUBSTISA-N
XLogP3.91
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110517954
4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516660
[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 17310903
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
CID 3813802
N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)-2-methylpropanediamide
CID 3424197
N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19661521
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide
CID 25237237
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919
3,4-dimethoxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517474
[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
CID 17310876

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide (CID 17310896) is 2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OCc3cccc(C)c3)c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is CZLPORKGZCVZFX-MFKUBSTISA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-17-6-5-7-19(12-17)16-32-22-13-18(8-10-21(22)30-3)15-25-26-33(27,28)24-11-9-20(29-2)14-23(24)31-4/h5-15,26H,16H2,1-4H3/b25-15+.
What are the key properties of 2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 470.55 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 17310896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).